4-(2-cyclopentyl-2-hydroxy-2-phenylacetoxy)-1,1-dimethylpiperidinium bromide | 959671-67-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-(2-cyclopentyl-2-hydroxy-2-phenylacetoxy)-1,1-dimethylpiperidinium bromide
• 英文别名: 4-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethyl-piperidinium bromide；(1,1-Dimethylpiperidin-1-ium-4-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;bromide
• CAS: 959671-67-1
• 化学式: Br*C₂₀H₃₀NO₃
• 分子量: 412.367
• InChiKey: REBLMSBBTYZOPF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.15
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-环戊基-2-羟基苯乙酸 在 N,N'-羰基二咪唑 作用下， 以 丙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 4-(2-cyclopentyl-2-hydroxy-2-phenylacetoxy)-1,1-dimethylpiperidinium bromide
  参考文献：
  名称：

  Carry Over of Impurities: A Detailed Exemplification for Glycopyrrolate (NVA237)

  摘要：

  The original synthesis of glycopyrrolate (NVA237) was revised and shortened into an essentially one-pot process. Without isolating the intermediates, their purification became obsolete, thereby increasing the possibility of the carry over of impurities. For that reason, the actual, potential, and theoretical impurities of the starting materials cyclopentyl mandelic acid and 1-methyl-pyrrolidin-3-ol as well as byproducts which may occur during the synthesis were thoroughly investigated; furthermore, their transformation to possible impurities in the drug substance along the new synthetic route was performed to exclude them as actual impurities in the drug substance with certainty. The question is raised how detailed such investigation-which are fairly manageable for a simple product like glycopyrrolate-need to be.

  DOI：

  10.1021/op3001788

文献信息

• PROCESS FOR PREPARING QUATERNARY SALTS OF PIPERIDYL ESTERS OF MANDELIC ACID
  申请人：Job Andreas

  公开号：US20090270629A1

  公开（公告）日：2009-10-29

  What is described is a process for preparing compounds of the general formula (I) in which R 1 , R 2 and R 3 independently of one another represent hydrogen, an alkyl group or an aryl group, wherein compounds of the general formula (II) in which R 1 and R 2 have the meaning given for formula (I), are reacted with an alkylating agent of the general formula (III) R 3 X   (III) in which X represents a halogen atom and R 3 has the meaning given for formula (I), if appropriate in a solvent.

  所描述的是一种制备一般式（I）化合物的过程，其中R1、R2和R3分别表示氢、烷基或芳基，其中一般式（II）化合物中R1和R2具有公式（I）中给定的含义，与一般式（III）烷基化试剂反应，其中X代表卤素原子，R3具有公式（I）中给定的含义，如有必要在溶剂中进行。
• NEW COSMETICS SOLVENTS COMPRISING ASCORBIC ACID
  申请人：Beiersdorf AG

  公开号：EP4011353A1

  公开（公告）日：2022-06-15

  The invention is an eutectic solvent formed from the mixture of ascorbic acid (vitamin C) in combination with Betaine and a third component selected from the group comprising Water, Ethanol, Glycerol, Diols and/or Triols with 6 or less than 6 C-atoms, especially 1,3 - Propanediol, Butylene Glycol and Hexanediol. The new inventive eutectic solvents allows an improved incorporation of active ingredients into cosmetic compositions.

  本发明是一种共晶溶剂，由抗坏血酸（维生素 C）与甜菜碱的混合物以及选自水、乙醇、甘油、二元醇和/或具有 6 个或少于 6 个 C 原子的三元醇（尤其是 1,3 - 丙二醇、丁二醇和己二醇）的第三种成分组成。新发明的共晶溶剂可以更好地将活性成分融入化妆品组合物中。
• NEW COSMETICS SOLVENTS BASED ON TWO DIFFERENT COMPONENTS
  申请人：Beiersdorf AG

  公开号：EP4011354A1

  公开（公告）日：2022-06-15

  The invention is an eutectic solvent which is formed from the mixture of two different components selected from the group of sugars, aminoacids, short organic acids, polyols, betaines, quaternary ammonium salts in precise molar ratio. The new inventive eutectic solvents allow an improved incorporation of active ingredients into cosmetic compositions.

  本发明是一种共晶溶剂，由糖、氨基酸、短有机酸、多元醇、甜菜碱、季铵盐中的两种不同成分以精确的摩尔比混合而成。新发明的共晶溶剂可以更好地将活性成分融入化妆品组合物中。
• NEW COSMETICS SOLVENTS BASED ON THREE DIFFERENT COMPONENTS
  申请人：Beiersdorf AG

  公开号：EP4011352A1

  公开（公告）日：2022-06-15

  The invention is an eutectic solvent which is formed from the mixture of three different components selected from the group consisting of Betaine, Glycerol, Urea, Citric Acid, Malic Acid, Glucose, Fructose, Sorbitol, Sucrose, Xylitol, Proline and Choline Chloride in precise molar ratio. The new inventive eutectic solvents allows an improved incorporation of active ingredients into cosmetic compositions.

  本发明是一种共晶溶剂，由选自甜菜碱、甘油、尿素、柠檬酸、苹果酸、葡萄糖、果糖、山梨糖醇、蔗糖、木糖醇、脯氨酸和氯化胆碱的三种不同成分以精确的摩尔比混合而成。新发明的共晶溶剂可以更好地将活性成分融入化妆品成分中。
• AROMATISCHE AMIDOTHIAZOLE, SIE ENTHALTENDE KOSMETISCHE ODER DERMATOLOGISCHE ZUBEREITUNGEN UND DEREN VERWENDUNG ZUR BEKÄMPFUNG UND PROPHYLAXE UNERWÜNSCHTER PIGMENTIERUNG DER HAUT
  申请人：Beiersdorf AG

  公开号：EP2758383B1

  公开（公告）日：2016-11-09